smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1c2cc(O)c([O-])cc2OC[C@@H]1O 95910590 560058539 /nfs/dbraw/zinc/05/85/39/560058539.db2.gz ZKPUHACIYMRLNE-ZETCQYMHSA-N -1 1 196.158 0.034 1 10 biogenic,in-vitro ACCFMM